2-Propenoic acid, 3-phenyl-, ethyl ester
- Formula: C11H12O2
- Molecular weight: 176.2118
- IUPAC Standard InChIKey: KBEBGUQPQBELIU-CMDGGOBGSA-N
- CAS Registry Number: 103-36-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: Cinnamic acid, ethyl ester; Ethyl cinnamate; Ethyl β-phenylacrylate; Ethyl 3-phenylpropenoate; Ethyl 3-phenylacrylate; Ethyl 3-phenyl-2-propenoate; Ethyl benzylideneacetate; NSC 6773; trans-Ethyl cinnamate
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 5 CB | OV-1 | HP-1 | HP-1 | HP-1 |
Column length (m) | 25. | 30. | 50. | 50. | 50. |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.2 |
Phase thickness (μm) | 0.15 | 0.25 | 0.33 | 0.33 | 0.25 |
Tstart (C) | 50. | 40. | 60. | 60. | 60. |
Tend (C) | 220. | 300. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 2. | 2. | 2. | |
Initial hold (min) | 2. | 4. | 4. | 60. | |
Final hold (min) | 10. | 30. | 30. | ||
I | 1460. | 1431. | 1426. | 1430. | 1436. |
Reference | Ameen, Usman, et al., 2011 | Nibret and Wink, 2009 | Castel, Fernandez, et al., 2006 | Castel, Fernandez, et al., 2006 | Fernandez, Lizzani-Cuvelier, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-1 | SPB-5 | HP-5 | DB-5 |
Column length (m) | 30. | 50. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 60. | 60. | 40. | 40. | 60. |
Tend (C) | 285. | 220. | 220. | 280. | 245. |
Heat rate (K/min) | 4.3 | 2. | 5. | 3. | 3. |
Initial hold (min) | 1. | 10. | 3. | ||
Final hold (min) | 45. | 20. | 10. | 20. | |
I | 1462. | 1436. | 1475. | 1463. | 1460. |
Reference | Tesevic, Nikicevic, et al., 2005 | Fernandez, Lizzani-Cuvelier, et al., 2003 | Ledauphin, Guichard, et al., 2003 | Bicalho, Pereira, et al., 2000 | Kotseridis and Baumes, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-5 | HP-1 | DB-1 | SE-30 | OV-1 |
Column length (m) | 50. | 25. | 60. | 183. | |
Carrier gas | He | Helium | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.762 | |
Phase thickness (μm) | 1. | ||||
Tstart (C) | 40. | 35. | 50. | 70. | 0. |
Tend (C) | 190. | 250. | 250. | 170. | 230. |
Heat rate (K/min) | 2. | 4. | 4. | 2. | 1. |
Initial hold (min) | 5. | 0.1 | |||
Final hold (min) | 5. | ||||
I | 1474. | 1426. | 1431. | 1455. | 1433. |
Reference | Lopez, Ferreira, et al., 1999 | Ong, Acree, et al., 1998 | Binder and Flath, 1989 | Alves and Jennings, 1979 | Schreyen, Dirinck, et al., 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ameen, Usman, et al., 2011
Ameen, O.M.; Usman, L.A.; Oganija, F.S.; Hamid, A.A.; Muhammed, N.O.; Zubair, M.F.; Adebayo, S.A.,
Chemical composition of leaf essential oil of Annona senegalensis Pers. (Annonaceae) growing in North Central Nigeria,
Int. J. Biol. Chem. Sci., 2011, 5, 1, 375-379. [all data]
Nibret and Wink, 2009
Nibret, E.; Wink, M.,
Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities,
Phytomedicine, 2009, 00, 0, 000-000. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods,
Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2003
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Périchet, C.; Delbecque, C.,
Volatile constituents of benzoin gums: Siam and Sumatra. Part 1.,
Flavour Fragr. J., 2003, 18, 4, 328-333, https://doi.org/10.1002/ffj.1230
. [all data]
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [all data]
Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252
. [all data]
Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Alves and Jennings, 1979
Alves, S.; Jennings, W.G.,
Volatile composition of certain Amazonian fruits,
Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6
. [all data]
Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N.,
Flavor analysis of quince,
J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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